5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline

C16H21BrN4 — CID 61442495

IUPAC5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESCN(Cc1cnn(C)c1)c1cc(Br)ccc1CNC1CC1
InChIInChI=1S/C16H21BrN4/c1-20(10-12-8-19-21(2)11-12)16-7-14(17)4-3-13(16)9-18-15-5-6-15/h3-4,7-8,11,15,18H,5-6,9-10H2,1-2H3
InChIKeyGZBLDDWPBHSBQB-UHFFFAOYSA-N
MW349.28 g/mol
LogP3.07
Rot. Bonds6

About 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline

5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline (PubChem CID 61442495) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
PubChem CID61442495
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC Name5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESCN(Cc1cnn(C)c1)c1cc(Br)ccc1CNC1CC1
InChIInChI=1S/C16H21BrN4/c1-20(10-12-8-19-21(2)11-12)16-7-14(17)4-3-13(16)9-18-15-5-6-15/h3-4,7-8,11,15,18H,5-6,9-10H2,1-2H3
InChIKeyGZBLDDWPBHSBQB-UHFFFAOYSA-N
XLogP3.07
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61442401
5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine
CID 81250095
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 62288842
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 81146399
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
CID 43281873
2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol
CID 54879396
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79310755
N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280907
5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 63553037
4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine
CID 61442546
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 62767914
6-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 66451248

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline (CID 61442495) is 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline is CN(Cc1cnn(C)c1)c1cc(Br)ccc1CNC1CC1.
What is the InChIKey of 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The InChIKey is GZBLDDWPBHSBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-20(10-12-8-19-21(2)11-12)16-7-14(17)4-3-13(16)9-18-15-5-6-15/h3-4,7-8,11,15,18H,5-6,9-10H2,1-2H3.
What are the key properties of 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline?
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline has a molecular weight of 349.28 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 61442495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).